Information card for entry 4080992

Structure parameters

• Formula: C21 H28 Ge N2 S Se
• Calculated formula: C21 H28 Ge N2 S Se
• SMILES: [Ge]1([Se]c2ccccc2)(=S)[N](=C2C=CC=CC=C2N1CC(C)C)CC(C)C
• Title of publication: Synthesis and Reactivity ofN-Aminotroponiminatogermylenepyrrole and Its Derivatives
• Authors of publication: Karwasara, Surendar; Sharma, Mahendra Kumar; Tripathi, Rupali; Nagendran, Selvarajan
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 14
• Pages of publication: 3830
• a: 12.8139 ± 0.0011 Å
• b: 12.8085 ± 0.0012 Å
• c: 14.3119 ± 0.0013 Å
• α: 90°
• β: 108.952 ± 0.002°
• γ: 90°
• Cell volume: 2221.6 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No